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News

Press release about our paper in collaboration with Boehringer Ingelheim Pharma about a new computational model for predicting the properties of high-concentration biopharmaceutical formulations.

Lucas Araujo gives an oral presentation about our work on a machine-learing interactomic potential for chemistry in solution at the Bunsentagung in Dresden (March 30- April 01, 2026).

WE-Heraeus-Seminar on "Confinement Control on the Molecular Level: Principles, Mechanisms, Applications" at the beautiful Physikzentrum Bad Honnef September 13-17, 2026.

Press release about our paper with the Happe group from the Biology Faculty at RUB about a new oxygen-stable [FeFe]-hydrogenase enzyme.

Who we are and what we do

We investigate link between structure, dynamics, and function of biomolecules. To that end, we develop and apply computational methods to study biomolecular systems at the atomic level, mostly using molecular dynamics (MD) simulations.

We are part of the Center for Theoretical Chemistry at Ruhr University Bochum.

The Molecular Simulation group at RUB.